Information card for entry 7046082

Structure parameters

• Common name: 17163z
• Formula: C47 H39 B F6 P3 Tl
• Calculated formula: C47 H39 B F6 P3 Tl
• Title of publication: Inductive modulation of tris(phosphinomethyl)phenylborate donation at group VI metals via borate phenyl substituent modification.
• Authors of publication: Fischer, Paul J.; Senthil, Shuruthi; Stephan, Jeremy T.; Swift, McKinley L; Storlie, Meghan D.; Chan, Emily T.; Vollmer, Matthew V.; Young, Victor G.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 17
• Pages of publication: 6166 - 6176
• a: 10.1861 ± 0.0004 Å
• b: 15.8699 ± 0.0009 Å
• c: 25.4574 ± 0.0011 Å
• α: 90°
• β: 94.474 ± 0.002°
• γ: 90°
• Cell volume: 4102.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0448
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0566
• Weighted residual factors for all reflections included in the refinement: 0.0609
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No